3-[(4-chlorophenyl)methyl]thiophene

C11H9ClS — CID 24764290

IUPAC3-[(4-chlorophenyl)methyl]thiophene
SMILESClc1ccc(Cc2ccsc2)cc1
InChIInChI=1S/C11H9ClS/c12-11-3-1-9(2-4-11)7-10-5-6-13-8-10/h1-6,8H,7H2
InChIKeyVCNMJFXOIMIGNG-UHFFFAOYSA-N
MW208.71 g/mol
LogP3.99
Rot. Bonds2

About 3-[(4-chlorophenyl)methyl]thiophene

3-[(4-chlorophenyl)methyl]thiophene (PubChem CID 24764290) has the molecular formula C11H9ClS and a molecular weight of 208.71 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]thiophene.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]thiophene
PubChem CID24764290
Molecular FormulaC11H9ClS
Molecular Weight208.71 g/mol
Exact Mass208.01
IUPAC Name3-[(4-chlorophenyl)methyl]thiophene
SMILESClc1ccc(Cc2ccsc2)cc1
InChIInChI=1S/C11H9ClS/c12-11-3-1-9(2-4-11)7-10-5-6-13-8-10/h1-6,8H,7H2
InChIKeyVCNMJFXOIMIGNG-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.71
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-5-(thiophen-3-ylmethyl)-1,3,4-thiadiazole
CID 63386125
1-[(4-chlorophenyl)methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 111130694
[4-[(4-chlorophenyl)methyl]phenyl]methanol
CID 22408254
2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 110868986
3-[4-chloro-3-(chloromethyl)-3-(4-chlorophenyl)butyl]thiophene
CID 79453047
2-(4-chlorophenyl)-2-(2-thiophen-3-ylethyl)propane-1,3-diol
CID 79450489
6-chloro-2-propyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
CID 51360589
4-chloro-5-(thiophen-3-ylmethyl)pyrimidine
CID 139023792
1-[2-(4-chlorophenyl)ethyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 111196680
5-chloro-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 63245983
2-methoxy-4-(thiophen-3-ylmethyl)phenol
CID 175997325
1-(4-chlorophenoxy)-4-thiophen-3-ylbutan-2-amine
CID 105147757

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]thiophene?
The IUPAC name of 3-[(4-chlorophenyl)methyl]thiophene (CID 24764290) is 3-[(4-chlorophenyl)methyl]thiophene.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]thiophene?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]thiophene is Clc1ccc(Cc2ccsc2)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]thiophene?
The InChIKey is VCNMJFXOIMIGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClS/c12-11-3-1-9(2-4-11)7-10-5-6-13-8-10/h1-6,8H,7H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]thiophene?
3-[(4-chlorophenyl)methyl]thiophene has a molecular weight of 208.71 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]thiophene is sourced from PubChem (CID 24764290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).